2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

C16H18N4 — CID 62403520

IUPAC2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1ccc(NCc2cnc3cc(C)nn3c2)c(C)c1
InChIInChI=1S/C16H18N4/c1-11-4-5-15(12(2)6-11)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h4-7,9-10,17H,8H2,1-3H3
InChIKeyUIBDQBBPYHECHO-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.27
Rot. Bonds3

About 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (PubChem CID 62403520) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
PubChem CID62403520
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
SMILESCc1ccc(NCc2cnc3cc(C)nn3c2)c(C)c1
InChIInChI=1S/C16H18N4/c1-11-4-5-15(12(2)6-11)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h4-7,9-10,17H,8H2,1-3H3
InChIKeyUIBDQBBPYHECHO-UHFFFAOYSA-N
XLogP3.27
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403159
2,4,5-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63783538
[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]phenyl]methanol
CID 63783870
3-chloro-2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62404576
5-bromo-2-fluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63782333
2-ethoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyridin-3-amine
CID 63783015
4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
CID 62402815

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline (CID 62403520) is 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is Cc1ccc(NCc2cnc3cc(C)nn3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
The InChIKey is UIBDQBBPYHECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-4-5-15(12(2)6-11)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline?
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline has a molecular weight of 266.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline is sourced from PubChem (CID 62403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).